3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine

C11H9BrFN3 — CID 107634583

IUPAC3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
SMILESNc1ncccc1Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3/c12-8-4-3-7(13)6-10(8)16-9-2-1-5-15-11(9)14/h1-6,16H,(H2,14,15)
InChIKeyXVPDQLHYGXSRNV-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.31
Rot. Bonds2

About 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine

3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine (PubChem CID 107634583) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
PubChem CID107634583
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
SMILESNc1ncccc1Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3/c12-8-4-3-7(13)6-10(8)16-9-2-1-5-15-11(9)14/h1-6,16H,(H2,14,15)
InChIKeyXVPDQLHYGXSRNV-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
2-(2-bromo-5-fluoroanilino)pyridine-3-carbothioamide
CID 107635647
1-N-(2-bromo-5-fluorophenyl)-3-propoxybenzene-1,2-diamine
CID 107634459
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
2-amino-3-(2-bromo-5-fluoroanilino)benzoic acid
CID 107637907
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
1-N-(2-bromo-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107634528
2-amino-N-(2-bromo-4-fluorophenyl)pyridine-3-sulfonamide
CID 62144064
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine (CID 107634583) is 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine is Nc1ncccc1Nc1cc(F)ccc1Br.
What is the InChIKey of 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is XVPDQLHYGXSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-8-4-3-7(13)6-10(8)16-9-2-1-5-15-11(9)14/h1-6,16H,(H2,14,15).
What are the key properties of 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine?
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 282.12 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 107634583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).